Records |
Author |
Kovnir, K.A.; Sobolev, A.V.; Presniakov, I.A.; Lebedev, O.I.; Van Tendeloo, G.; Schnelle, W.; Grin, Y.; Shevelkov, A.V. |
Title |
Sn19.3Cu4.7As22I8: a new clathrate-I compound with transition-metal atoms in the cationic framework |
Type |
A1 Journal article |
Year |
2005 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
Volume |
44 |
Issue |
24 |
Pages |
8786-8793 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000233488100020 |
Publication Date |
2005-11-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669;1520-510X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.857 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 4.857; 2005 IF: 3.851 |
Call Number |
UA @ lucian @ c:irua:56059 |
Serial |
3555 |
Permanent link to this record |
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Author |
Michel, K.H.; Verberck, B. |
Title |
Theory of rigid-plane phonon modes in layered crystals |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
85 |
Issue |
9 |
Pages |
094303-094303,11 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The lattice dynamics of low-frequency rigid-plane modes in metallic (graphene multilayers, GML) and in insulating (hexagonal boron-nitride multilayers, BNML) layered crystals is investigated. The frequencies of shearing and compression (stretching) modes depend on the layer number N and are presented in the form of fan diagrams. The results for GML and BNML are very similar. In both cases, only the interactions (van der Waals and Coulomb) between nearest-neighbor planes are effective, while the interactions between more distant planes are screened. A comparison with recent Raman scattering results on low-frequency shear modes in GML [Tan et al., Nat. Mater., in press, doi: 10.1038/nmat3245, (2012)] is made. Relations with the low-lying rigid-plane phonon dispersions in the bulk materials are established. Master curves, which connect the fan diagram frequencies for any given N, are derived. Static and dynamic thermal correlation functions for rigid-layer shear and compression modes are calculated. The results might be of use for the interpretation of friction force experiments on multilayer crystals. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000301646000006 |
Publication Date |
2012-03-19 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
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Notes |
; The authors are indebted to J. Maultzsch for bringing Ref. 20 to their attention. They thank D. Lamoen, F.M. Peeters, B. Trauzettel, and C. Van Haesendonck for useful discussions. This work has been financially supported by the Research Foundation Flanders (FWO). ; |
Approved |
Most recent IF: 3.836; 2012 IF: 3.767 |
Call Number |
UA @ lucian @ c:irua:97787 |
Serial |
3619 |
Permanent link to this record |
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Author |
Lin, K.; Lebedev, O.I.; Van Tendeloo, G.; Jacobs, P.A.; Pescarmona, P.P. |
Title |
Titanosilicate beads with hierarchical porosity : synthesis and application as epoxidation catalysts |
Type |
A1 Journal article |
Year |
2011 |
Publication |
Chemistry: a European journal |
Abbreviated Journal |
Chem-Eur J |
Volume |
16 |
Issue |
45 |
Pages |
13509-13518 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Porous titanosilicate beads with a diameter of 0.51.5 mm (TiSil-HPB-60) were synthesized from a preformed titanosilicate solution with a porous anion-exchange resin as template. The bead format of this material enables its straightforward separation from the reaction mixture in its application as a liquid-phase heterogeneous catalyst. The material displays hierarchical porosity (micro/mesopores) and incipient TS-1 structure building units. The titanium species are predominantly located in tetrahedral framework positions. TiSil-HPB-60 is a highly active catalyst for the epoxidation of cyclohexene with t-butyl hydroperoxide (TBHP) and aqueous H2O2. With both oxidants, TiSil-HPB-60 gave higher epoxide yields than Ti-MCM-41 and TS-1. The improved catalytic performance of TiSil-HPB-60 is mainly ascribed to the large mesopores favoring the diffusion of reagents and products to and from the titanium active sites. The epoxide yield and selectivity could be further improved by silylation of the titanosilicate beads. Importantly, TiSil-HPB-60 is a stable catalyst immune to titanium leaching, and can be easily recovered and reused in successive catalytic cycles without significant loss of activity. Moreover, TiSil-HPB-60 is active and selective in the epoxidation of a wide range of bulky alkenes. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000285398400029 |
Publication Date |
2010-10-07 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0947-6539; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
5.317 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
Iap; Goa |
Approved |
Most recent IF: 5.317; 2011 IF: 5.925 |
Call Number |
UA @ lucian @ c:irua:88153 |
Serial |
3668 |
Permanent link to this record |
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Author |
Lucena, D.; Tkachenko, D.V.; Nelissen, K.; Misko, V.R.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M. |
Title |
Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Physical review : E : statistical, nonlinear, and soft matter physics |
Abbreviated Journal |
Phys Rev E |
Volume |
85 |
Issue |
3:1 |
Pages |
031147-031147,12 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
American Institute of Physics |
Place of Publication |
Woodbury (NY) |
Editor |
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Language |
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Wos |
000302117900003 |
Publication Date |
2012-03-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1539-3755;1550-2376; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; This work was supported by CNPq, FUNCAP (Pronex grant), the “Odysseus” program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the bilateral program between Flanders and Brazil, and the collaborative program CNPq-FWO-Vl. ; |
Approved |
Most recent IF: 2.366; 2012 IF: 2.313 |
Call Number |
UA @ lucian @ c:irua:97784 |
Serial |
3699 |
Permanent link to this record |
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Author |
Karapetrov, G.; Milošević, M.V.; Iavarone, M.; Fedor, J.; Belkin, A.; Novosad, V.; Peeters, F.M. |
Title |
Transverse instabilities of multiple vortex chains in magnetically coupled NbSe2/permalloy superconductor/ferromagnet bilayers |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Physical review : B : solid state |
Abbreviated Journal |
Phys Rev B |
Volume |
80 |
Issue |
18 |
Pages |
180506,1-180506,4 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Using scanning tunneling microscopy and Ginzburg-Landau simulations, we explore vortex configurations in magnetically coupled NbSe2/permalloy superconductor/ferromagnet bilayer. The permalloy film with stripe domain structure induces periodic local magnetic induction in the superconductor, creating a series of pinning-antipinning channels for externally added magnetic flux quanta. Such laterally confined Abrikosov vortices form quasi-one-dimensional arrays (chains). The transitions between multichain states occur through propagation of kinks at the intermediate fields. At high fields we show that the system becomes nonlinear due to a change in both the number of vortices and the confining potential. The longitudinal instabilities of the resulting vortex structures lead to vortices levitating in the antipinning channels. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000272310900031 |
Publication Date |
2009-11-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 3.836; 2009 IF: 3.475 |
Call Number |
UA @ lucian @ c:irua:80314 |
Serial |
3729 |
Permanent link to this record |
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Author |
Chemchuen, S.; Zhou, K.; Kabir, N.A.; Chen, Y.; Ke, X.; Van Tendeloo, G.; Verpoort, F. |
Title |
Tuning metal sites of DABCO MOF for gas purification at ambient conditions |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Microporous and mesoporous materials: zeolites, clays, carbons and related materials |
Abbreviated Journal |
Micropor Mesopor Mat |
Volume |
201 |
Issue |
201 |
Pages |
277-285 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
Abstract |
Metalorganic frameworks (MOFs) have emerged as new porous materials for capture and separation of binary gas mixtures. Tuning the metal sites in MOF structures has an impact on properties, which enhance affinity of gas adsorption and selectivity (e.g., surface area, cavity, electric field, etc.). The synthesis and characterization of a M-DABCO series (M = Ni, Co, Cu, Zn) of MOFs are described in this study. The experiments were conducted using multicomponent gas mixtures and the Ideal Adsorbed Solution Theory (IAST) was applied to determine the CO2/CH4 selectivity. Experimental adsorption isotherms were fitted with a model equation to evaluate the characteristic adsorption energy (Isosteric, Qst) of this series. The Ni metal in the M-DABCO series reveals the best performance concerning CO2 adsorption and CH4/CO2 selectivity at ambient conditions based on IAST calculations. The combination of characterizations, calculations and adsorption experiments were used to discuss the metal impact on the adsorption sites in the M-DABCO series at ambient conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000345185200030 |
Publication Date |
2014-09-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1387-1811; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.615 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
246791-Countatoms |
Approved |
Most recent IF: 3.615; 2015 IF: 3.453 |
Call Number |
c:irua:120473 |
Serial |
3748 |
Permanent link to this record |
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Author |
Bekermann, D.; Gasparotto, A.; Barreca, D.; Devi, A.; Fischer, R.A.; Kete, M.; Štangar, U.L.; Lebedev, O.I.; Maccato, C.; Tondello, E.; Van Tendeloo, G. |
Title |
ZnO nanorod arrays by plasma-enhanced CVD for light-activated functional applications |
Type |
A1 Journal article |
Year |
2010 |
Publication |
ChemPhysChem : a European journal of chemical physics and physical chemistry |
Abbreviated Journal |
Chemphyschem |
Volume |
11 |
Issue |
11 |
Pages |
2337-2340 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
Switch of the surface properties: Supported ZnO nanorod arrays with tailored roughness and aspect ratios are successfully synthesized by plasma-enhanced chemical vapor deposition. Such nanostructures exhibit significant superhydrophilic and photocatalytic properties tunable as a function of their morphological organization (see picture). This renders them promising building blocks for the fabrication of stimuli-responsive materials. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Weinheim |
Editor |
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Language |
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Wos |
000281061500008 |
Publication Date |
2010-06-16 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1439-4235;1439-7641; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.075 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
Esteem 026019 |
Approved |
Most recent IF: 3.075; 2010 IF: 3.340 |
Call Number |
UA @ lucian @ c:irua:84594 |
Serial |
3935 |
Permanent link to this record |
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Author |
Bacaksiz, C.; Cahangirov, S.; Rubio, A.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
Title |
Bilayer SnS2 : tunable stacking sequence by charging and loading pressure |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
93 |
Issue |
93 |
Pages |
125403 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Employing density functional theory-based methods, we investigate monolayer and bilayer structures of hexagonal SnS2, which is a recently synthesized monolayer metal dichalcogenide. Comparison of the 1H and 1T phases of monolayer SnS2 confirms the ground state to be the 1T phase. In its bilayer structure we examine different stacking configurations of the two layers. It is found that the interlayer coupling in bilayer SnS2 is weaker than that of typical transition-metal dichalcogenides so that alternative stacking orders have similar structural parameters and they are separated with low energy barriers. A possible signature of the stacking order in the SnS2 bilayer has been sought in the calculated absorbance and reflectivity spectra. We also study the effects of the external electric field, charging, and loading pressure on the characteristic properties of bilayer SnS2. It is found that (i) the electric field increases the coupling between the layers at its preferred stacking order, so the barrier height increases, (ii) the bang gap value can be tuned by the external E field and under sufficient E field, the bilayer SnS2 can become a semimetal, (iii) the most favorable stacking order can be switched by charging, and (iv) a loading pressure exceeding 3 GPa changes the stacking order. The E-field tunable band gap and easily tunable stacking sequence of SnS2 layers make this 2D crystal structure a good candidate for field effect transistor and nanoscale lubricant applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000371405000005 |
Publication Date |
2016-03-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). C.B., H.S., and R.T.S. acknowledge support from TUBITAK Project No. 114F397. H.S. is supported by an FWO Pegasus Marie Curie Fellowship. S.C. and A.R. acknowledge financial support from the Marie Curie grant FP7-PEOPLE-2013-IEF Project No. 628876, the European Research Council (ERC-2010-AdG-267374), and Spanish grant Grupos Consolidados (IT578-13). S.C. acknowledges support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 115F388. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:132345 |
Serial |
4144 |
Permanent link to this record |
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Author |
Michel, K.H.; Costamagna; Peeters, F.M. |
Title |
Theory of anharmonic phonons in two-dimensional crystals |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
91 |
Issue |
91 |
Pages |
134302 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Anharmonic effects in an atomic monolayer thin crystal with honeycomb lattice structure are investigated by analytical and numerical lattice dynamical methods. Starting from a semiempirical model for anharmonic couplings of third and fourth orders, we study the in-plane and out-of-plane (flexural) mode components of the generalized wave vector dependent Gruneisen parameters, the thermal tension and the thermal expansion coefficients as a function of temperature and crystal size. From the resonances of the displacement-displacement correlation functions, we obtain the renormalization and decay rate of in-plane and flexural phonons as a function of temperature, wave vector, and crystal size in the classical and in the quantum regime. Quantitative results are presented for graphene. There, we find that the transition temperature T-alpha from negative to positive thermal expansion is lowered with smaller system size. Renormalization of the flexural mode has the opposite effect and leads to values of T-alpha approximate to 300 K for systems of macroscopic size. Extensive numerical analysis throughout the Brillouin zone explores various decay and scattering channels. The relative importance of normal and umklapp processes is investigated. The work is complementary to crystalline membrane theory and computational studies of anharmonic effects in two-dimensional crystals. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000353031000001 |
Publication Date |
2015-04-17 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121; 1550-235x |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; We thank B. Verberck, D. Lamoen, and A. Dobry for useful comments. We acknowledge funding from the FWO (Belgium)-MINCyT (Argentina) collaborative research project. This work is supported by the EuroGRAPHENE project CONGRAN. ; |
Approved |
Most recent IF: 3.836; 2015 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:132512 |
Serial |
4263 |
Permanent link to this record |
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Author |
Khoeini, F.; Shakouri; Peeters, F.M. |
Title |
Peculiar half-metallic state in zigzag nanoribbons of MoS2 : spin filtering |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
94 |
Issue |
94 |
Pages |
125412 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Layered structures of molybdenum disulfide (MoS2) belong to a new class of two-dimensional (2D) semiconductor materials in which monolayers exhibit a direct band gap in their electronic spectrum. This band gap has recently been shown to vanish due to the presence of metallic edge modes when MoS2 monolayers are terminated by zigzag edges on both sides. Here, we demonstrate that a zigzag nanoribbon of MoS2, when exposed to an external exchange field in combination with a transverse electric field, has the potential to exhibit a peculiar half-metallic nature and thereby allows electrons of only one spin direction to move. The peculiarity of such spin-selective conductors originates from a spin switch near the gap-closing region, so the allowed spin orientation can be controlled by means of an external gate voltage. It is shown that the induced half-metallic phase is resistant to random fluctuations of the exchange field as well as the presence of edge vacancies. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000383238800009 |
Publication Date |
2016-09-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:137130 |
Serial |
4360 |
Permanent link to this record |
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Author |
Yagmurcukardes, M.; Torun, E.; Senger, R.T.; Peeters, F.M.; Sahin, H. |
Title |
Mg(OH)2-WS2 van der Waals heterobilayer : electric field tunable band-gap crossover |
Type |
A1 Journal article |
Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
Volume |
94 |
Issue |
94 |
Pages |
195403 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Magnesium hydroxide [Mg(OH)(2)] has a layered brucitelike structure in its bulk form and was recently isolated as a new member of two-dimensional monolayer materials. We investigated the electronic and optical properties of monolayer crystals of Mg(OH)(2) and WS2 and their possible heterobilayer structure by means of first-principles calculations. It was found that both monolayers of Mg(OH)(2) and WS2 are direct-gap semiconductors and these two monolayers form a typical van der Waals heterostructure with a weak interlayer interaction and a type-II band alignment with a staggered gap that spatially separates electrons and holes. We also showed that an out-of-plane electric field induces a transition from a staggered to a straddling-type heterojunction. Moreover, by solving the Bethe-Salpeter equation on top of single-shot G(0)W(0) calculations, we show that the low-energy spectrum of the heterobilayer is dominated by the intralyer excitons of the WS2 monolayer. Because of the staggered interfacial gap and the field-tunable energy-band structure, the Mg(OH)(2)-WS2 heterobilayer can become an important candidate for various optoelectronic device applications in nanoscale. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000386769400007 |
Publication Date |
2016-11-03 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWOPegasus Long Marie Curie Fellowship. H.S. and R.T.S. acknowledge support from TUBITAK through Project No. 114F397. H.S. acknowledges support from Bilim Akademisi – The Science Academy, Turkey, under the BAGEP program. ; |
Approved |
Most recent IF: 3.836 |
Call Number |
UA @ lucian @ c:irua:138205 |
Serial |
4364 |
Permanent link to this record |
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Author |
Wang, W.; Mei, D.; Tu, X.; Bogaerts, A. |
Title |
Gliding arc plasma for CO 2 conversion: Better insights by a combined experimental and modelling approach |
Type |
A1 Journal article |
Year |
2017 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
Volume |
330 |
Issue |
|
Pages |
11-25 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A gliding arc plasma is a potential way to convert CO2 into CO and O2, due to its non-equilibrium character, but little is known about the underlying mechanisms. In this paper, a self-consistent two-dimensional (2D) gliding arc model is developed, with a detailed non-equilibrium CO2 plasma chemistry, and validated with experiments. Our calculated values of the electron number density in the plasma, the CO2 conversion and energy efficiency show reasonable agreement with the experiments, indicating that the model can provide a realistic picture of the plasma chemistry. Comparison of the results with classical thermal conversion, as well as other plasma-based technologies for CO2 conversion reported in literature, demonstrates the non-equilibrium character of the gliding arc, and indicates that the gliding arc is a promising plasma reactor for CO2 conversion. However, some process modifications should be exploited to further improve its performance. As the model provides a realistic picture of the plasma behaviour, we use it first to investigate the plasma characteristics in a whole gliding arc cycle, which is necessary to understand the underlying mechanisms. Subsequently, we perform a chemical kinetics analysis, to investigate the different pathways for CO2 loss and formation. Based on the revealed discharge properties and the underlying CO2 plasma chemistry, the model allows us to propose solutions on how to further improve the
CO2 conversion and energy efficiency by a gliding arc plasma. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000414083300002 |
Publication Date |
2017-07-22 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1385-8947 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.216 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
OpenAccess |
Notes |
This research was supported by the European Marie Skłodowska- Curie Individual Fellowship “GlidArc” within Horizon 2020 (Grant No. 657304) and by the FWO project (grant G.0383.16N). The support of this experimental work by the EPSRC CO2Chem Seedcorn Grant and the FWO travel grant for study abroad (Grant K2.128.17N) is gratefully acknowledged. The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. |
Approved |
Most recent IF: 6.216 |
Call Number |
PLASMANT @ plasmant @c:irua:145033 |
Serial |
4636 |
Permanent link to this record |
|
|
|
Author |
Kempenaers, L.; Janssens, K.; Jochum, K.P.; Vincze, L.; Vekemans, B.; Somogyi, A.; Drakopoulos, M.; Adams, F. |
Title |
Micro-heterogeneity study of trace elements in USGS, MPI-DING and glass reference materials by means of synchrotron micro-XRF |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
Volume |
18 |
Issue |
|
Pages |
350-357 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
|
Wos |
000181827800010 |
Publication Date |
2003-03-27 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0267-9477 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.379 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 3.379; 2003 IF: 3.200 |
Call Number |
UA @ admin @ c:irua:41009 |
Serial |
5715 |
Permanent link to this record |
|
|
|
Author |
Cagno, S.; Mendera, M.; Jeffries, T.; Janssens, K. |
Title |
Raw materials for medieval to post-medieval Tuscan glassmaking : new insight from LA-ICP-MS analyses |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of archaeological science |
Abbreviated Journal |
J Archaeol Sci |
Volume |
37 |
Issue |
12 |
Pages |
3030-3036 |
Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
Abstract |
LA-ICP-MS analyses were performed on a set of Tuscan (post) medieval archaeological glass finds dated to the 1316th century in order to quantitatively determine the trace element contents. The results are used for defining and distinguishing several compositional groups. The trace element data are consistent with the distinctions obtained by considering the major element data determined via quantitative SEM-EDX, but allow to obtain new insights into the nature and quality of the silica sources employed and the presumed method of ash purification. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000283903500008 |
Publication Date |
2010-07-06 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0305-4403 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.602 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; This research was supported by the Interuniversity Attraction Poles Program – Belgian Science Policy (IUAP VI/16). The text also presents results of GOA “Atom” (Research Fund University of Antwerp, Belgium) and of FWO (Brussels, Belgium) projects no. G.0177.03, G.0103.04 and G.0689.06. ; |
Approved |
Most recent IF: 2.602; 2010 IF: 1.710 |
Call Number |
UA @ admin @ c:irua:85814 |
Serial |
5802 |
Permanent link to this record |
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|
|
Author |
Buysse, C.; Kovalevsky, A.; Snijkers, F.; Buekenhoudt, A.; Mullens, S.; Luyten, J.; Kretzschmar, J.; Lenaerts, S. |
Title |
Fabrication and oxygen permeability of gastight, macrovoid-free Ba0.5Sr0.5Co0.8Fe0.2O3-\delta capillaries for high temperature gas separation |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Journal of membrane science |
Abbreviated Journal |
J Membrane Sci |
Volume |
359 |
Issue |
1-2 |
Pages |
86-92 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
Abstract |
Oxygen-permeable perovskites with mixed ionic-electronic conducting properties can play an important role in the separation of oxygen from air which is needed in the oxy-fuel and pre-combustion technologies for the removal and capture of CO2. In this work, gastight, macrovoid-free Ba0.5Sr0.5Co0.8Fe0.2O3−δ (BSCF) capillaries were successfully shaped by a phase-inversion spinning technique, followed by calcination and sintering. It was found that both the rheology of the ceramic suspension and the composition of bore liquid and coagulation bath are key factors for making macrovoid-free green capillaries. Gastight BSCF capillaries were obtained by sintering for 5 h at 1100 °C. The sintered BSCF capillaries contained a significant amount of BaSO4 due to a reaction with the polysulfone binder during calcination. The oxygen permeation flux through the BSCF capillaries was measured and compared to literature data on BSCF disk and hollow fiber membranes measured in similar conditions. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000279953300010 |
Publication Date |
2009-10-30 |
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0376-7388 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
6.035 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; The authors want to express their thanks to the VITO personnel for their continuous support, especially B. Molenberghs, W. Doyen, H. Beckers (Separation and Conversion Technology, VITO), R. Kemps, M. Mertens, I. Thijs, M. Schoeters, W. Bouwen and J. Cooymans (Materials Department, VITO). C. Buysse thankfully acknowledges a PhD scholarship provided by VITO and the University of Antwerp. This work is performed in the framework of the German Helmholtz Alliance Project “MEM-BRAIN”, aiming at the development of gas separation membranes for zero-emission fossil fuel power plants. ; |
Approved |
Most recent IF: 6.035; 2010 IF: 3.673 |
Call Number |
UA @ admin @ c:irua:82008 |
Serial |
5950 |
Permanent link to this record |
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|
Author |
Witters, N.; Mendelsohn, R.; Van Passel, S.; Van Slycken, S.; Weyens, N.; Schreurs, E.; Meers, E.; Tack, F.; Vanheusden, B.; Vangronsveld, J. |
Title |
Phytoremediation, a sustainable remediation technology? 2 : economic assessment of CO2 abatement through the use of phytoremediation crops for renewable energy production |
Type |
A1 Journal article |
Year |
2012 |
Publication |
Biomass & Bioenergy |
Abbreviated Journal |
Biomass Bioenerg |
Volume |
39 |
Issue |
|
Pages |
470-477 |
Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
Abstract |
Phytoremediation could be a sustainable remediation alternative for conventional remediation technologies. However, its implementation on a commercial scale remains disappointing. To emphasize its sustainability, this paper examines whether and how the potential economic benefit of CO2 abatement for different crops used for phytoremediation or sustainable land management purposes could promote phytotechnologies. Our analysis is based on a case study in the Campine region, where agricultural soils are contaminated with mainly cadmium. We use Life Cycle Analysis to show for the most relevant crops (willow (Salix spp), energy maize (Zea mays), and rapeseed (Brassica napus)), that phytoremediation, used for renewable energy production, could abate CO2. Converting this in economic numbers through the Marginal Abatement Cost of CO2 ( 20 ton−1) we can integrate this in the economic analysis to compare phytoremediation crops among each other, and phytoremediation with conventional technologies. The external benefit of CO2 abatement when using phytoremediation crops for land management ranges between 55 and 501 per hectare. The purpose of these calculations is not to calculate a subsidy for phytoremediation. There is no reason why one would prefer phytoremediation crops for renewable energy production over normal biomass. Moreover, subsidies for renewable energy already exist. Therefore, we should not integrate these numbers in the economic analysis again. However, these numbers could contribute to making explicit the competitive advantage of phytoremediation compared to conventional remediation technologies, but also add to a more sustainably funded decision on which crop should be grown on contaminated land. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000302829900054 |
Publication Date |
2011-12-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
0961-9534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.219 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; ; |
Approved |
Most recent IF: 3.219; 2012 IF: 2.975 |
Call Number |
UA @ admin @ c:irua:129863 |
Serial |
6236 |
Permanent link to this record |
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Author |
Wang, D.; Dasgupta, T.; van der Wee, E.B.; Zanaga, D.; Altantzis, T.; Wu, Y.; Coli, G.M.; Murray, C.B.; Bals, S.; Dijkstra, M.; van Blaaderen, A. |
Title |
Binary icosahedral clusters of hard spheres in spherical confinement |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Nature Physics |
Abbreviated Journal |
Nat Phys |
Volume |
|
Issue |
|
Pages |
1-9 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) |
Abstract |
The influence of geometry on the local and global packing of particles is important to many fundamental and applied research themes, such as the structure and stability of liquids, crystals and glasses. Here we show by experiments and simulations that a binary mixture of hard-sphere-like nanoparticles crystallizing into a MgZn(2)Laves phase in bulk spontaneously forms icosahedral clusters in slowly drying droplets. Using advanced electron tomography, we are able to obtain the real-space coordinates of all the spheres in the icosahedral clusters of up to about 10,000 particles. The local structure of 70-80% of the particles became similar to that of the MgCu(2)Laves phase. These observations are important for photonic applications. In addition, we observed in simulations that the icosahedral clusters nucleated away from the spherical boundary, which is distinctly different from that of the single species clusters. Our findings open the way for particle-level studies of nucleation and growth of icosahedral clusters, and of binary crystallization. The authors investigate out-of-equilibrium crystallization of a binary mixture of sphere-like nanoparticles in small droplets. They observe the spontaneous formation of an icosahedral structure with stable MgCu(2)phases, which are promising for photonic applications. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000564497300002 |
Publication Date |
2020-08-31 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
|
Edition |
|
ISSN |
1745-2473; 1745-2481 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
19.6 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
OpenAccess |
Notes |
; D.W., E.B.v.d.W. and A.v.B. acknowledge partial financial support from the European Research Council under the European Union's Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. T.D. and M. D. acknowledge financial support from the Industrial Partnership Programme, 'Computational Sciences for Energy Research' (grant number 13CSER025), of the Netherlands Organization for Scientific Research (NWO), which was co-financed by Shell Global Solutions International BV G.M.C. was also financially supported by NWO. S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). C.B.M. and Y.W. acknowledge support for materials synthesis from the Office of Naval Research Multidisciplinary University Research Initiative Award ONR N00014-18-1-2497. G. A. Blab is gratefully acknowledged for 3D printing numerous truncated tetrahedra, which increased our understanding of the connection between the binary icosahedral cluster and Laves phase structures. N. Tasios is sincerely thanked for providing the code for the diffraction pattern calculation. M. Hermes is sincerely thanked for providing interactive views of the structures in this work. We thank G. van Tendeloo, M. Engel, J. Wang, S. Dussi, L. Filion, E. Boattini, S. Paliwal, N. Tasios, B. van der Meer, I. Lobato, J. Wu and L. Laurens for fruitful discussions. We acknowledge the EM Square centre at Utrecht University for the access to the microscopes. ; sygma |
Approved |
Most recent IF: 19.6; 2020 IF: 22.806 |
Call Number |
UA @ admin @ c:irua:172044 |
Serial |
6460 |
Permanent link to this record |
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Author |
Jalali, H.; Ghorbanfekr, H.; Hamid, I.; Neek-Amal, M.; Rashidi, R.; Peeters, F.M. |
Title |
Out-of-plane permittivity of confined water |
Type |
A1 Journal article |
Year |
2020 |
Publication |
Physical Review E |
Abbreviated Journal |
Phys Rev E |
Volume |
102 |
Issue |
2 |
Pages |
022803 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
The dielectric properties of confined water is of fundamental interest and is still controversial. For water confined in channels with height smaller than h = 8 angstrom, we found a commensurability effect and an extraordinary decrease in the out-of-plane dielectric constant down to the limit of the dielectric constant of optical water. Spatial resolved polarization density data obtained from molecular dynamics simulations are found to be antisymmetric across the channel and are used as input in a mean-field model for the dielectric constant as a function of the height of the channel for h > 15 angstrom. Our results are in excellent agreement with a recent experiment [L. Fumagalli et al., Science 360, 1339 (2018)]. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000560660400004 |
Publication Date |
2020-08-11 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
1539-3755; 1550-2376 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.366 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
38 |
Open Access |
|
Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: NA |
Call Number |
UA @ admin @ c:irua:171157 |
Serial |
6574 |
Permanent link to this record |
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Author |
Bogaerts, A.; Okhrimovskyy, A.; Gijbels, R. |
Title |
Calculation of the gas flow and its effect on the plasma characteristics for a modified Grimm-type glow discharge cell |
Type |
A1 Journal article |
Year |
2002 |
Publication |
Journal of analytical atomic spectrometry |
Abbreviated Journal |
J Anal Atom Spectrom |
Volume |
17 |
Issue |
|
Pages |
1076-1082 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
London |
Editor |
|
Language |
|
Wos |
000177766400012 |
Publication Date |
2002-09-09 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
0267-9477;1364-5544; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.379 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
|
Approved |
Most recent IF: 3.379; 2002 IF: 4.250 |
Call Number |
UA @ lucian @ c:irua:40191 |
Serial |
270 |
Permanent link to this record |
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Author |
Xu, X.; Vereecke, G.; Chen, C.; Pourtois, G.; Armini, S.; Verellen, N.; Tsai, W.K.; Kim, D.W.; Lee, E.; Lin, C.Y.; Van Dorpe, P.; Struyf, H.; Holsteyns, F.; Moshchalkov, V.; Indekeu, J.; De Gendt, S.; |
Title |
Capturing wetting states in nanopatterned silicon |
Type |
A1 Journal article |
Year |
2014 |
Publication |
ACS nano |
Abbreviated Journal |
Acs Nano |
Volume |
8 |
Issue |
1 |
Pages |
885-893 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
Spectacular progress in developing advanced Si circuits with reduced size, along the track of Moore's law, has been relying on necessary developments in wet cleaning of nanopatterned Si wafers to provide contaminant free surfaces. The most efficient cleaning is achieved when complete wetting can be realized. In this work, ordered arrays of silicon nanopillars on a hitherto unexplored small scale have been used to study the wetting behavior on nanomodulated surfaces in a substantial range of surface treatments and geometrical parameters. With the use of optical reflectance measurements, the nanoscale water imbibition depths have been measured and the transition to the superhydrophobic Cassie-Baxter state has been accurately determined. For pillars of high aspect ratio (about 15), the transition occurs even when the surface is grafted with a hydrophilic functional group. We have found a striking consistent deviation between the contact angle measurements and the straightforward application of the classical wetting models. Molecular dynamics simulations show that these deviations can be attributed to the long overlooked atomic-scale surface perturbations that are introduced during the nanofabrication process. When the transition condition is approached, transient states of partial imbibition that characterize intermediate states between the Wenzel and Cassie-Baxter states are revealed in our experiments. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000330542900092 |
Publication Date |
2013-12-31 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
|
Series Issue |
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Edition |
|
ISSN |
1936-0851;1936-086X; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
13.942 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
|
Notes |
|
Approved |
Most recent IF: 13.942; 2014 IF: 12.881 |
Call Number |
UA @ lucian @ c:irua:114871 |
Serial |
276 |
Permanent link to this record |
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Author |
Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Antipov, E.V. |
Title |
Chemistry and structure of anion-deficient perovskites with translational interfaces |
Type |
A1 Journal article |
Year |
2008 |
Publication |
Journal of the American Ceramic Society |
Abbreviated Journal |
J Am Ceram Soc |
Volume |
91 |
Issue |
6 |
Pages |
1807-1813 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
|
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Columbus, Ohio |
Editor |
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Language |
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Wos |
000256410700010 |
Publication Date |
2008-04-29 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0002-7820;1551-2916; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.841 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
|
Notes |
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Approved |
Most recent IF: 2.841; 2008 IF: 2.101 |
Call Number |
UA @ lucian @ c:irua:70088 |
Serial |
355 |
Permanent link to this record |
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Author |
Lamoen, D.; Michel, K.H. |
Title |
Crystal field, orientational order, and lattice contraction in solid C60 |
Type |
A1 Journal article |
Year |
1994 |
Publication |
The journal of chemical physics |
Abbreviated Journal |
J Chem Phys |
Volume |
101 |
Issue |
|
Pages |
1435-1443 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
A model of the intermolecular potential in solid C-60, which is based on Born-Mayer repulsions, van der Waals attractions, and electrostatic multipoles, is presented. The potential is expanded in terms of multipolar rotator functions. The orientation-orientation interaction and the crystal field are calculated. The orientational phase transition to the Pa3 phase is studied with the methods of statistical mechanics. The discontinuity of the order parameter at the transition and the temperature evolution of the order parameter are calculated. The lattice contraction at the phase transition is evaluated. The influence of the lattice contraction on the crystal field and on the orientational order is studied. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
New York, N.Y. |
Editor |
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Language |
|
Wos |
A1994NW97900058 |
Publication Date |
2002-07-26 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
|
ISSN |
0021-9606; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
2.952 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
|
Notes |
|
Approved |
CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 # |
Call Number |
UA @ lucian @ c:irua:9361 |
Serial |
554 |
Permanent link to this record |
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Author |
Yang, C.H.; Peeters, F.M.; Xu, W. |
Title |
Density of states and magneto-optical conductivity of graphene in a perpendicular magnetic field |
Type |
A1 Journal article |
Year |
2010 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
82 |
Issue |
20 |
Pages |
205428 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
The density of states (DOS) and the optical conductivity of graphene is calculated in the presence of a perpendicular magnetic field and where scattering on charged and short-range impurities is included. The standard Kubo formula is employed where the self-energy induced by impurity scattering and the Green's function are calculated self-consistently including inter-Landau level (LL) coupling and screening effects. It is found that the scattering from those two types of impurities results in a symmetric LL broadening and asymmetric inter-LL coupling renormalizes the LL positions to lower energy. The peak position and intensity of the magneto-optical conductivity depends on the filling factor and the broadened DOS. Good agreement is found with recent cyclotron resonance measurements. |
Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000284400700003 |
Publication Date |
2010-11-18 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
; This work was supported by the National Natural Science Foundation of China under Grant No. 10804053, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the Chinese Academy of Sciences and Department of Science and Technology of Yunnan Province. ; |
Approved |
Most recent IF: 3.836; 2010 IF: 3.774 |
Call Number |
UA @ lucian @ c:irua:95543 |
Serial |
641 |
Permanent link to this record |
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Author |
Çakir, D.; Peeters, F.M. |
Title |
Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures |
Type |
A1 Journal article |
Year |
2014 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
89 |
Issue |
24 |
Pages |
245403 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices. |
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Place of Publication |
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Wos |
000336917700004 |
Publication Date |
2014-06-04 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; |
Approved |
Most recent IF: 3.836; 2014 IF: 3.736 |
Call Number |
UA @ lucian @ c:irua:117750 |
Serial |
644 |
Permanent link to this record |
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Author |
Slachmuylders, A.F.; Partoens, B.; Magnus, W.; Peeters, F.M. |
Title |
Dielectric mismatch effect on the exciton states in cylindrical nanowires |
Type |
A1 Journal article |
Year |
2006 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
74 |
Issue |
23 |
Pages |
235321,1-8 |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
Abstract |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Lancaster, Pa |
Editor |
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Language |
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Wos |
000243195700080 |
Publication Date |
2006-12-20 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1098-0121;1550-235X; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2006 IF: 3.107 |
Call Number |
UA @ lucian @ c:irua:62178 |
Serial |
693 |
Permanent link to this record |
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Author |
Blumenau, A.T.; Jones, R.; Frauenheim, T.; Willems, B.; Lebedev, O.I.; Van Tendeloo, G.; Fisher, D.; Martineau, P.M. |
Title |
Dislocations in diamond : dissociation into partials and their glide motion |
Type |
A1 Journal article |
Year |
2003 |
Publication |
Physical review : B : condensed matter and materials physics |
Abbreviated Journal |
Phys Rev B |
Volume |
68 |
Issue |
1 |
Pages |
014115-14119 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
The dissociation of 60degrees and screw dislocations in diamond is modeled in an approach combining isotropic elasticity theory with ab initio-based tight-binding total-energy calculations. Both dislocations are found to dissociate with a substantial lowering of their line energies. For the 60degrees dislocation, however, an energy barrier to dissociation is found. We investigate the core structure of a screw dislocation distinguishing “shuffle,” “mixed,” and “glide” cores. The latter is found to be the most stable undissociated screw dislocation. Further, the glide motion of 90degrees and 30degrees partials is discussed in terms of a process involving the thermal formation and subsequent migration of kinks along the dislocation line. The calculated activation barriers to dislocation motion show that the 30degrees partial is less mobile than the 90degrees partial. Finally, high-resolution electron microscopy is performed on high-temperature, high-pressure annealed natural brown diamond, allowing the core regions of 60degrees dislocations to be imaged. The majority of dislocations are found to be dissociated. However, in some cases, undissociated 60degrees dislocations were also observed. |
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Place of Publication |
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Wos |
000184582900050 |
Publication Date |
2003-08-01 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0163-1829;1095-3795; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.836 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.836; 2003 IF: NA |
Call Number |
UA @ lucian @ c:irua:103800 |
Serial |
734 |
Permanent link to this record |
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Author |
Bogaerts, A. |
Title |
Effects of oxygen addition to argon glow discharges: a hybrid Monte Carlo-fluid modeling investigation |
Type |
A1 Journal article |
Year |
2009 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
Spectrochim Acta B |
Volume |
64 |
Issue |
11/12 |
Pages |
1266-1279 |
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
Abstract |
A hybrid model is developed for describing the effects of oxygen addition to argon glow discharges. The species taken into account in the model include Ar atoms in the ground state and the metastable level, O2 gas molecules in the ground state and two metastable levels, O atoms in the ground state and one metastable level, O3 molecules, Ar+, O+, O2+ and O− ions, as well as the electrons. The hybrid model consists of a Monte Carlo model for electrons and fluid models for the other plasma species. In total, 87 different reactions between the various plasma species are taken into account. Calculation results include the species densities and the importance of their production and loss processes, as well as the dissociation degree of oxygen. The effect of different O2 additions on these calculation results, as well as on the sputtering rates, is discussed. |
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Place of Publication |
Oxford |
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Wos |
000272910300016 |
Publication Date |
2009-10-23 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0584-8547; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
3.241 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
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Approved |
Most recent IF: 3.241; 2009 IF: 2.719 |
Call Number |
UA @ lucian @ c:irua:79271 |
Serial |
869 |
Permanent link to this record |
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Author |
Kerkhofs, S.; Willhammar, T.; Van Den Noortgate, H.; Kirschhock, C.E.A.; Breynaert, E.; Van Tendeloo, G.; Bals, S.; Martens, J.A. |
Title |
Self-Assembly of Pluronic F127—Silica Spherical Core–Shell Nanoparticles in Cubic Close-Packed Structures |
Type |
A1 Journal article |
Year |
2015 |
Publication |
Chemistry of materials |
Abbreviated Journal |
Chem Mater |
Volume |
27 |
Issue |
27 |
Pages |
5161-5169 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
A new ordered mesoporous silica material (COK-19) with cubic symmetry is synthesized by silicate polycondensation in a citric acid/citrate buffered micellar solution of Pluronic F127 triblock copolymer near neutral pH. SAXS, nitrogen adsorption, TEM, and electron tomography reveal the final material has a cubic close packed symmetry (Fm3̅m) with isolated spherical mesopores interconnected through micropores. Heating of the synthesis medium from room temperature to 70 °C results in a mesopore size increase from 7.0 to 11.2 nm. Stepwise addition of the silicate source allows isolation of a sequence of intermediates that upon characterization with small-angle X-ray scattering uncovers the formation process via formation and aggregation of individual silica-covered Pluronic micelles. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Language |
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Wos |
000359499100003 |
Publication Date |
2015-07-24 |
Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4756 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
9.466 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
OpenAccess |
Notes |
J.A.M. acknowledges the Flemish government for long-term structural funding (Methusalem, METH/08/04). The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI, P7/05 FS2). G.V.T., S.B. and T.W. acknowledge financial support from European Research Council (ERC Starting Grant no. 335078-COLOURATOMS). E.B. acknowledges financial support the Flemish FWO for a postdoctoral fellowship (1265013N). The authors gratefully thank Kristof Houthoofd for performing the NMR experiments.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); |
Approved |
Most recent IF: 9.466; 2015 IF: 8.354 |
Call Number |
c:irua:127758 |
Serial |
3977 |
Permanent link to this record |
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Author |
Sivek, J.; Leenaerts, O.; Partoens, B.; Peeters, F.M. |
Title |
First-principles investigation of bilayer fluorographene |
Type |
A1 Journal article |
Year |
2012 |
Publication |
The journal of physical chemistry: C : nanomaterials and interfaces |
Abbreviated Journal |
J Phys Chem C |
Volume |
116 |
Issue |
36 |
Pages |
19240-19245 |
Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
Abstract |
Ab initio calculations within the density functional theory formalism are performed to investigate the stability and electronic properties of fluorinated bilayer graphene (bilayer fluorographene). A comparison is made to previously investigated graphane, bilayer graphane, and fluorographene. Bilayer fluorographene is found to be a much more stable material than bilayer graphane. Its electronic band structure is similar to that of monolayer fluorographene, but its electronic band gap is significantly larger (about 1 eV). We also calculate the effective masses around the Gamma-point for fluorographene and bilayer fluorographene and find that they are isotropic, in contrast to earlier reports. Furthermore, it is found that bilayer fluorographene is almost as strong as graphene, as its 2D Young's modulus is approximately 300 N m(-1). |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Washington, D.C. |
Editor |
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Language |
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Wos |
000308631300022 |
Publication Date |
2012-08-21 |
Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1932-7447;1932-7455; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
4.536 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
; This work is supported by the ESF-Eurocores program EuroGRAPHENE (project CONERAN) and the Flemish Science Foundation (FWO-V1). ; |
Approved |
Most recent IF: 4.536; 2012 IF: 4.814 |
Call Number |
UA @ lucian @ c:irua:101842 |
Serial |
1211 |
Permanent link to this record |
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Author |
ben Azzouz, F.; Zouaoui, M.; Mellekh, A.; Annabi, M.; Van Tendeloo, G.; ben Salem, M. |
Title |
Flux pinning by Al-based nanoparticles embedded in YBCO: a transmission electron microscopic study |
Type |
A1 Journal article |
Year |
2007 |
Publication |
Physica: C : superconductivity |
Abbreviated Journal |
Physica C |
Volume |
455 |
Issue |
1/2 |
Pages |
19-24 |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
Abstract |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000246598700003 |
Publication Date |
2007-02-21 |
Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0921-4534; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
Impact Factor |
1.404 |
Times cited ![sorted by Times cited field, ascending order (up)](img/sort_asc.gif) |
39 |
Open Access |
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Notes |
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Approved |
Most recent IF: 1.404; 2007 IF: 1.079 |
Call Number |
UA @ lucian @ c:irua:64754 |
Serial |
1242 |
Permanent link to this record |